SCHEMBL4083334

SCHEMBL4083334

O=c1[nH]c(C2C3CC4CC(C3)CC2C4)c(-c2cccc(F)c2)n1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
PAX8 Q06710 2/20 0.36
GRM5 P41594 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
PDE4A P27815 1/20 0.33
CALCRL Q16602 1/20 0.33
CHRM1 P11229 2/20 0.33
DRD2 P14416 2/20 0.33
PGR P06401 5/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4088977 0.86 DRD4 (0.44) CYP3A4CHRM1DRD2DRD4DRD3
SCHEMBL75211 0.69 CYP1A2 (0.38) CYP1A2CYP3A4GRM5CHRM2CHRM4
SCHEMBL4088862 0.66
SCHEMBL4082407 0.64
SCHEMBL20357967 0.60 PGR (0.60) CHRM1DRD2PGR
SCHEMBL9974821 0.60 OPRM1 (0.61) CYP1A2CHRM1DRD2DRD4DRD3
SCHEMBL1381428 0.58 OPRM1 (0.45) CHRM1DRD2PGR
SCHEMBL4078872 0.57 YTHDF2 (0.39)
SCHEMBL74990 0.55 DRD2 (0.41) CYP1A2CYP3A4DRD2DRD4DRD3
SCHEMBL198702 0.55 TAAR1 (0.68) CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed